#------------------------------------------------------------------------------
#$Date: 2019-11-25 09:12:50 +0200 (Mon, 25 Nov 2019) $
#$Revision: 240586 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/12/99/4129979.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4129979
loop_
_publ_author_name
'Inge, A. Ken'
'Köppen, Milan'
'Su, Jie'
'Feyand, Mark'
'Xu, Hongyi'
'Zou, Xiaodong'
'O'Keeffe, Michael'
'Stock, Norbert'
_publ_section_title
;
 Unprecedented Topological Complexity in a Metal-Organic Framework
 Constructed from Simple Building Units.
;
_journal_issue                   6
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1970
_journal_page_last               1976
_journal_paper_doi               10.1021/jacs.5b12484
_journal_volume                  138
_journal_year                    2016
_chemical_formula_sum            'C81 H27 Bi9 O63'
_chemical_formula_weight         3888.84
_chemical_name_common            CAU-17
_space_group_crystal_system      trigonal
_space_group_IT_number           147
_space_group_name_Hall           '-P 3'
_space_group_name_H-M_alt        'P -3'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   47.210(2)
_cell_length_b                   47.210(2)
_cell_length_c                   9.9682(4)
_cell_measurement_temperature    150(2)
_cell_volume                     19240.5(14)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.955
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_device_type  'Rigaku Saturn724+ (2x2 bin mode)'
_diffrn_radiation_wavelength     0.6889
_diffrn_reflns_av_R_equivalents  0.1621
_diffrn_reflns_av_unetI/netI     0.2469
_diffrn_reflns_Laue_measured_fraction_full 0.955
_diffrn_reflns_Laue_measured_fraction_max 0.954
_diffrn_reflns_limit_h_max       56
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       52
_diffrn_reflns_limit_k_min       -56
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            46522
_diffrn_reflns_point_group_measured_fraction_full 0.955
_diffrn_reflns_point_group_measured_fraction_max 0.954
_diffrn_reflns_theta_full        24.415
_diffrn_reflns_theta_max         24.519
_diffrn_reflns_theta_min         1.277
_diffrn_source                   Synchrotron
_exptl_absorpt_coefficient_mu    11.070
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.339
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    2.014
_exptl_crystal_description       Rod
_exptl_crystal_F_000             10584
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         3.984
_refine_diff_density_min         -3.366
_refine_diff_density_rms         0.382
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     569
_refine_ls_number_reflns         20983
_refine_ls_number_restraints     78
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.1985
_refine_ls_R_factor_gt           0.1061
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0657P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2053
_refine_ls_wR_factor_ref         0.2623
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10130
_reflns_number_total             20983
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja5b12484_si_002.cif
_cod_data_source_block           CAU-17
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        19240(2)
_cod_database_code               4129979
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Bi1 Bi 0.16317(5) 0.18023(5) 0.26028(18) 0.0364(5) Uani 1 1 d . .
Bi2 Bi 0.22677(5) 0.18577(5) 0.60595(18) 0.0355(5) Uani 1 1 d . .
Bi3 Bi 0.22153(5) 0.24481(5) 0.91747(18) 0.0346(5) Uani 1 1 d . .
Bi4 Bi 0.35355(5) 0.44328(5) 0.0186(2) 0.0401(5) Uani 1 1 d . .
Bi5 Bi 0.29030(5) 0.43887(4) 0.35346(16) 0.0327(4) Uani 1 1 d . .
Bi6 Bi 0.34873(4) 0.50376(5) 0.68778(17) 0.0354(5) Uani 1 1 d . .
Bi7 Bi 0.48796(5) 0.31780(5) 0.78442(18) 0.0365(5) Uani 1 1 d . .
Bi8 Bi 0.48135(5) 0.37664(5) 0.45220(18) 0.0364(5) Uani 1 1 d . .
Bi9 Bi 0.42290(4) 0.31309(4) 0.11613(19) 0.0358(5) Uani 1 1 d . .
O01 O 0.2784(7) 0.2182(7) 0.706(3) 0.042(3) Uani 1 1 d . .
O02 O 0.2770(7) 0.2255(8) 0.503(3) 0.042(3) Uani 1 1 d . .
O03 O 0.3792(7) 0.2949(7) 0.260(3) 0.042(3) Uani 1 1 d . .
O04 O 0.4242(7) 0.3261(7) 0.362(3) 0.042(3) Uani 1 1 d . .
O05 O 0.4277(7) 0.3208(8) 0.859(3) 0.042(3) Uani 1 1 d . .
O06 O 0.3821(8) 0.2987(9) 0.973(3) 0.042(3) Uani 1 1 d . .
O11 O 0.4492(8) 0.3997(8) 0.400(3) 0.049(4) Uani 1 1 d . .
O12 O 0.4404(8) 0.3800(8) 0.611(3) 0.049(4) Uani 1 1 d . .
O13 O 0.3695(8) 0.4165(8) 0.873(3) 0.049(4) Uani 1 1 d . .
O14 O 0.3434(8) 0.4383(8) 0.774(3) 0.049(4) Uani 1 1 d . .
O15 O 0.3411(8) 0.4355(8) 0.273(3) 0.049(4) Uani 1 1 d . .
O16 O 0.3707(9) 0.4193(8) 0.158(3) 0.049(4) Uani 1 1 d . .
O21 O 0.5105(8) 0.4182(7) 0.593(3) 0.040(4) Uani 1 1 d . .
O22 O 0.4845(8) 0.3748(7) 0.670(3) 0.040(4) Uani 1 1 d . .
O23 O 0.4806(7) 0.3716(6) 1.199(3) 0.040(4) Uani 1 1 d . .
O24 O 0.5123(8) 0.4165(7) 1.302(3) 0.040(4) Uani 1 1 d . .
O25 O 0.5946(8) 0.5181(8) 1.063(3) 0.040(4) Uani 1 1 d . .
O26 O 0.6021(7) 0.5129(6) 0.859(3) 0.040(4) Uani 1 1 d . .
O31 O 0.5180(9) 0.2073(7) 0.403(3) 0.045(4) Uani 1 1 d . .
O32 O 0.5108(9) 0.2043(7) 0.180(3) 0.045(4) Uani 1 1 d . .
O33 O 0.5001(10) 0.2888(8) -0.074(3) 0.045(4) Uani 1 1 d . .
O34 O 0.4758(10) 0.3088(9) 0.032(3) 0.045(4) Uani 1 1 d . .
O35 O 0.4806(10) 0.3170(9) 0.522(3) 0.045(4) Uani 1 1 d . .
O36 O 0.4968(9) 0.2871(8) 0.638(3) 0.045(4) Uani 1 1 d . .
O41 O 0.2850(8) 0.3919(8) 0.499(3) 0.036(3) Uani 1 1 d . U
O42 O 0.2690(7) 0.3839(7) 0.286(3) 0.036(3) Uani 1 1 d . .
O43 O 0.2505(9) 0.2876(8) 0.061(3) 0.036(3) Uani 1 1 d . .
O44 O 0.2251(7) 0.2394(7) 0.164(3) 0.036(3) Uani 1 1 d . .
O45 O 0.2327(7) 0.2440(7) 0.669(3) 0.036(3) Uani 1 1 d . .
O46 O 0.2489(7) 0.2894(7) 0.781(3) 0.036(3) Uani 1 1 d . .
O51 O 0.1537(6) 0.4190(7) 0.755(3) 0.037(3) Uani 1 1 d . .
O52 O 0.1501(8) 0.4076(9) 0.964(3) 0.037(3) Uani 1 1 d . .
O53 O 0.2500(7) 0.4283(8) 1.208(3) 0.037(3) Uani 1 1 d . .
O54 O 0.2947(7) 0.4417(8) 1.091(3) 0.037(3) Uani 1 1 d . .
O55 O 0.2933(7) 0.4481(8) 0.590(3) 0.037(3) Uani 1 1 d . .
O56 O 0.2479(8) 0.4237(8) 0.496(3) 0.037(3) Uani 1 1 d . .
O61 O 0.3770(7) 0.5461(8) -0.165(3) 0.042(3) Uani 1 1 d . .
O62 O 0.3553(8) 0.4981(9) -0.058(3) 0.042(3) Uani 1 1 d . .
O63 O 0.3521(8) 0.4975(9) 0.428(3) 0.042(3) Uani 1 1 d . .
O64 O 0.3778(8) 0.5462(8) 0.542(3) 0.042(3) Uani 1 1 d . .
O65 O 0.4585(7) 0.6446(7) 0.302(3) 0.042(3) Uani 1 1 d . .
O66 O 0.4624(7) 0.6412(7) 0.100(3) 0.042(3) Uani 1 1 d . .
O71 O 0.1660(8) 0.1895(8) 1.005(3) 0.041(3) Uani 1 1 d . .
O72 O 0.1176(7) 0.1639(7) 1.119(3) 0.041(3) Uani 1 1 d . .
O73 O 0.0221(7) 0.1565(7) 0.861(3) 0.041(3) Uani 1 1 d . .
O74 O 0.0215(7) 0.1500(7) 0.649(3) 0.041(3) Uani 1 1 d . .
O75 O 0.1234(8) 0.1693(8) 0.403(3) 0.041(3) Uani 1 1 d . .
O76 O 0.1681(8) 0.1896(8) 0.522(3) 0.041(3) Uani 1 1 d . .
O81 O 0.2190(7) 0.1825(7) -0.143(3) 0.034(3) Uani 1 1 d . .
O82 O 0.2346(7) 0.1542(7) -0.250(3) 0.034(3) Uani 1 1 d . .
O83 O 0.2588(7) 0.0772(7) -0.011(3) 0.034(3) Uani 1 1 d . .
O84 O 0.2495(7) 0.0707(7) 0.206(3) 0.034(3) Uani 1 1 d . .
O85 O 0.2388(8) 0.1558(8) 0.457(3) 0.034(3) Uani 1 1 d . .
O86 O 0.2176(7) 0.1812(7) 0.358(3) 0.034(3) Uani 1 1 d . .
OW1 O 0.1627(11) 0.2307(11) 0.260(3) 0.083(13) Uani 1 1 d . .
OW2 O 0.1717(9) 0.1353(8) 0.615(4) 0.057(10) Uani 1 1 d . U
OW3 O 0.2733(10) 0.2515(10) 0.919(3) 0.063(12) Uani 1 1 d . U
OW4 O 0.3068(10) 0.3887(9) 0.024(4) 0.060(11) Uani 1 1 d . U
OW5 O 0.2884(8) 0.4902(9) 0.349(3) 0.054(10) Uani 1 1 d . U
OW6 O 0.4012(8) 0.5049(10) 0.680(3) 0.065(12) Uani 1 1 d . .
OW7 O 0.4354(7) 0.2629(7) 0.785(3) 0.046(9) Uani 1 1 d . .
OW8 O 0.5362(9) 0.3785(11) 0.441(4) 0.076(14) Uani 1 1 d . .
OW9 O 0.4144(10) 0.3599(8) 0.114(4) 0.070(11) Uani 1 1 d . U
C01 C 0.3289(5) 0.2584(7) 0.613(3) 0.041(4) Uani 1 1 d DG .
C02 C 0.3456(7) 0.2721(8) 0.494(2) 0.041(4) Uani 1 1 d G .
H02 H 0.3347 0.2654 0.4122 0.049 Uiso 1 1 calc R U
C03 C 0.3786(7) 0.2957(8) 0.497(2) 0.041(4) Uani 1 1 d DG .
C04 C 0.3949(5) 0.3056(7) 0.619(3) 0.041(4) Uani 1 1 d G .
H04 H 0.4169 0.3215 0.6212 0.049 Uiso 1 1 calc R U
C05 C 0.3782(7) 0.2920(7) 0.738(2) 0.041(4) Uani 1 1 d G .
C06 C 0.3452(7) 0.2683(7) 0.735(2) 0.041(4) Uani 1 1 d G .
H06 H 0.3341 0.2592 0.8143 0.049 Uiso 1 1 calc R U
C07 C 0.2929(7) 0.2340(10) 0.597(5) 0.041(4) Uani 1 1 d D .
C08 C 0.3961(11) 0.3074(11) 0.365(3) 0.041(4) Uani 1 1 d D .
C09 C 0.3969(13) 0.3057(12) 0.862(5) 0.041(4) Uani 1 1 d . .
C11 C 0.4064(7) 0.4027(8) 0.519(3) 0.036(4) Uani 1 1 d DG .
C12 C 0.3945(7) 0.4073(8) 0.640(2) 0.036(4) Uani 1 1 d G .
H12 H 0.4020 0.4036 0.7210 0.043 Uiso 1 1 calc R U
C13 C 0.3714(8) 0.4173(8) 0.640(2) 0.036(4) Uani 1 1 d G .
C14 C 0.3602(7) 0.4229(9) 0.520(3) 0.036(4) Uani 1 1 d G .
H14 H 0.3447 0.4296 0.5198 0.043 Uiso 1 1 calc R U
C15 C 0.3721(7) 0.4183(8) 0.399(2) 0.036(4) Uani 1 1 d DG .
C16 C 0.3952(7) 0.4082(8) 0.399(2) 0.036(4) Uani 1 1 d G .
H16 H 0.4031 0.4052 0.3180 0.043 Uiso 1 1 calc R U
C17 C 0.4317(10) 0.3921(12) 0.510(5) 0.036(4) Uani 1 1 d D .
C18 C 0.3598(11) 0.4241(11) 0.769(5) 0.036(4) Uani 1 1 d . .
C19 C 0.3591(11) 0.4232(11) 0.267(3) 0.036(4) Uani 1 1 d D .
C21 C 0.5173(7) 0.4202(7) 0.834(2) 0.034(4) Uani 1 1 d G .
C22 C 0.5030(6) 0.4048(5) 0.954(3) 0.034(4) Uani 1 1 d G .
H22 H 0.4861 0.3832 0.9539 0.041 Uiso 1 1 calc R U
C23 C 0.5139(7) 0.4217(7) 1.074(2) 0.034(4) Uani 1 1 d G .
C24 C 0.5392(7) 0.4541(7) 1.074(2) 0.034(4) Uani 1 1 d G .
H24 H 0.5465 0.4654 1.1549 0.041 Uiso 1 1 calc R U
C25 C 0.5535(6) 0.4695(5) 0.954(3) 0.034(4) Uani 1 1 d DG .
C26 C 0.5426(7) 0.4526(7) 0.834(2) 0.034(4) Uani 1 1 d G .
H26 H 0.5522 0.4629 0.7533 0.041 Uiso 1 1 calc R U
C27 C 0.5044(11) 0.4007(12) 0.705(4) 0.034(4) Uani 1 1 d . .
C28 C 0.5005(10) 0.4049(12) 1.198(5) 0.034(4) Uani 1 1 d . .
C29 C 0.5826(9) 0.5038(8) 0.966(5) 0.034(4) Uani 1 1 d D .
C31 C 0.5099(7) 0.2470(6) 0.288(3) 0.032(4) Uani 1 1 d G U
C32 C 0.5054(7) 0.2597(7) 0.407(2) 0.032(4) Uani 1 1 d G .
H32 H 0.5080 0.2518 0.4894 0.039 Uiso 1 1 calc R U
C33 C 0.4972(7) 0.2841(7) 0.404(2) 0.032(4) Uani 1 1 d G .
C34 C 0.4934(7) 0.2959(6) 0.281(3) 0.032(4) Uani 1 1 d G .
H34 H 0.4879 0.3122 0.2789 0.039 Uiso 1 1 calc R U
C35 C 0.4979(7) 0.2832(7) 0.162(2) 0.032(4) Uani 1 1 d G .
C36 C 0.5061(7) 0.2588(7) 0.166(2) 0.032(4) Uani 1 1 d G .
H36 H 0.5091 0.2503 0.0864 0.039 Uiso 1 1 calc R U
C37 C 0.5143(11) 0.2175(11) 0.285(4) 0.032(4) Uani 1 1 d . .
C38 C 0.4899(12) 0.2958(12) 0.530(4) 0.032(4) Uani 1 1 d . .
C39 C 0.4906(12) 0.2917(12) 0.022(4) 0.032(4) Uani 1 1 d . .
C41 C 0.2638(9) 0.3398(5) 0.412(3) 0.037(4) Uani 1 1 d G .
C42 C 0.2591(8) 0.3225(6) 0.294(2) 0.037(4) Uani 1 1 d G .
H42 H 0.2622 0.3330 0.2117 0.045 Uiso 1 1 calc R U
C43 C 0.2497(8) 0.2896(6) 0.298(2) 0.037(4) Uani 1 1 d G .
C44 C 0.2450(10) 0.2739(5) 0.421(3) 0.037(4) Uani 1 1 d G .
H44 H 0.2387 0.2518 0.4238 0.045 Uiso 1 1 calc R U
C45 C 0.2497(9) 0.2912(6) 0.540(2) 0.037(4) Uani 1 1 d G .
C46 C 0.2591(9) 0.3242(6) 0.535(2) 0.037(4) Uani 1 1 d G .
H46 H 0.2623 0.3357 0.6146 0.045 Uiso 1 1 calc R U
C47 C 0.2733(12) 0.3753(10) 0.395(5) 0.037(4) Uani 1 1 d . .
C48 C 0.2401(12) 0.2722(11) 0.173(4) 0.037(4) Uani 1 1 d . .
C49 C 0.2466(13) 0.2758(11) 0.665(4) 0.037(4) Uani 1 1 d . .
C51 C 0.1980(4) 0.4193(6) 0.860(3) 0.024(3) Uani 1 1 d DG U
C52 C 0.2158(6) 0.4239(7) 0.977(2) 0.024(3) Uani 1 1 d G .
H52 H 0.2059 0.4217 1.0604 0.029 Uiso 1 1 calc R U
C53 C 0.2483(6) 0.4318(7) 0.970(2) 0.024(3) Uani 1 1 d G .
C54 C 0.2631(4) 0.4350(7) 0.846(2) 0.024(3) Uani 1 1 d G .
H54 H 0.2849 0.4403 0.8415 0.029 Uiso 1 1 calc R U
C55 C 0.2453(5) 0.4304(6) 0.7291(19) 0.024(3) Uani 1 1 d G .
C56 C 0.2128(5) 0.4225(6) 0.736(2) 0.024(3) Uani 1 1 d G .
H56 H 0.2008 0.4194 0.6578 0.029 Uiso 1 1 calc R U
C57 C 0.1631(6) 0.4129(9) 0.859(4) 0.024(3) Uani 1 1 d D .
C58 C 0.2677(10) 0.4352(9) 1.107(4) 0.024(3) Uani 1 1 d . .
C59 C 0.2633(10) 0.4354(10) 0.606(4) 0.024(3) Uani 1 1 d . .
C61 C 0.3826(7) 0.5462(6) 0.076(2) 0.029(4) Uani 1 1 d G U
C62 C 0.3684(6) 0.5302(5) 0.195(3) 0.029(4) Uani 1 1 d G .
H62 H 0.3515 0.5086 0.1936 0.034 Uiso 1 1 calc R U
C63 C 0.3794(6) 0.5466(6) 0.317(2) 0.029(4) Uani 1 1 d G .
C64 C 0.4046(6) 0.5789(6) 0.3187(19) 0.029(4) Uani 1 1 d G .
H64 H 0.4119 0.5899 0.4000 0.034 Uiso 1 1 calc R U
C65 C 0.4188(6) 0.5949(5) 0.199(2) 0.029(4) Uani 1 1 d G .
C66 C 0.4078(6) 0.5786(6) 0.078(2) 0.029(4) Uani 1 1 d G .
H66 H 0.4174 0.5893 -0.0022 0.034 Uiso 1 1 calc R U
C67 C 0.3693(11) 0.5290(12) -0.058(4) 0.029(4) Uani 1 1 d . .
C68 C 0.3679(12) 0.5280(12) 0.425(4) 0.029(4) Uani 1 1 d . .
C69 C 0.4501(10) 0.6289(11) 0.198(4) 0.029(4) Uani 1 1 d . .
C71 C 0.1187(6) 0.1691(7) 0.879(2) 0.040(4) Uani 1 1 d G U
C72 C 0.0860(6) 0.1608(7) 0.877(2) 0.040(4) Uani 1 1 d DG .
H72 H 0.0746 0.1571 0.9576 0.048 Uiso 1 1 calc R U
C73 C 0.0704(5) 0.1583(7) 0.756(2) 0.040(4) Uani 1 1 d G .
C74 C 0.0874(6) 0.1640(7) 0.636(2) 0.040(4) Uani 1 1 d DG .
H74 H 0.0769 0.1623 0.5550 0.048 Uiso 1 1 calc R U
C75 C 0.1200(6) 0.1722(7) 0.637(2) 0.040(4) Uani 1 1 d G .
C76 C 0.1357(5) 0.1747(7) 0.759(3) 0.040(4) Uani 1 1 d DG .
H76 H 0.1576 0.1802 0.7594 0.048 Uiso 1 1 calc R U
C77 C 0.1374(13) 0.1757(12) 0.510(5) 0.040(4) Uani 1 1 d . .
C78 C 0.1380(10) 0.1756(12) 1.005(3) 0.040(4) Uani 1 1 d D .
C79 C 0.0362(8) 0.1527(11) 0.746(4) 0.040(4) Uani 1 1 d D .
C81 C 0.2353(8) 0.1526(7) -0.013(2) 0.038(4) Uani 1 1 d G U
C82 C 0.2426(8) 0.1275(7) -0.015(2) 0.038(4) Uani 1 1 d DG .
H82 H 0.2440 0.1186 -0.0965 0.046 Uiso 1 1 calc R U
C83 C 0.2478(8) 0.1156(6) 0.104(3) 0.038(4) Uani 1 1 d G .
C84 C 0.2457(7) 0.1289(7) 0.226(2) 0.038(4) Uani 1 1 d G .
H84 H 0.2492 0.1209 0.3061 0.046 Uiso 1 1 calc R U
C85 C 0.2384(7) 0.1540(7) 0.228(2) 0.038(4) Uani 1 1 d G .
C86 C 0.2332(8) 0.1658(6) 0.109(3) 0.038(4) Uani 1 1 d DG .
H86 H 0.2284 0.1826 0.1100 0.046 Uiso 1 1 calc R U
C87 C 0.2302(11) 0.1663(10) -0.137(3) 0.038(4) Uani 1 1 d D .
C88 C 0.2288(11) 0.1631(11) 0.345(5) 0.038(4) Uani 1 1 d . .
C89 C 0.2501(11) 0.0848(11) 0.101(5) 0.038(4) Uani 1 1 d . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0029 0.0015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0101 0.0057 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Bi Bi -3.3347 10.1052 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O75 Bi1 O73 114.3(11) . 5_556
O75 Bi1 O72 77.3(11) . 1_554
O73 Bi1 O72 73.2(10) 5_556 1_554
O75 Bi1 O74 76.0(11) . 5_556
O73 Bi1 O74 53.8(10) 5_556 5_556
O72 Bi1 O74 99.5(10) 1_554 5_556
O75 Bi1 OW1 78.6(13) . .
O73 Bi1 OW1 148.1(11) 5_556 .
O72 Bi1 OW1 82.2(13) 1_554 .
O74 Bi1 OW1 153.4(12) 5_556 .
O75 Bi1 O71 130.1(11) . 1_554
O73 Bi1 O71 67.6(10) 5_556 1_554
O72 Bi1 O71 54.9(10) 1_554 1_554
O74 Bi1 O71 121.2(10) 5_556 1_554
OW1 Bi1 O71 81.7(11) . 1_554
O75 Bi1 O76 52.6(11) . .
O73 Bi1 O76 128.5(10) 5_556 .
O72 Bi1 O76 129.6(11) 1_554 .
O74 Bi1 O76 75.5(10) 5_556 .
OW1 Bi1 O76 83.0(11) . .
O71 Bi1 O76 163.1(9) 1_554 .
O75 Bi1 O86 117.3(10) . .
O73 Bi1 O86 83.8(9) 5_556 .
O72 Bi1 O86 156.6(10) 1_554 .
O74 Bi1 O86 69.0(9) 5_556 .
OW1 Bi1 O86 117.4(12) . .
O71 Bi1 O86 112.5(9) 1_554 .
O76 Bi1 O86 68.9(9) . .
O75 Bi1 C77 25.6(13) . .
O73 Bi1 C77 123.2(12) 5_556 .
O72 Bi1 C77 102.8(14) 1_554 .
O74 Bi1 C77 72.2(12) 5_556 .
OW1 Bi1 C77 81.5(13) . .
O71 Bi1 C77 153.8(13) 1_554 .
O76 Bi1 C77 27.1(12) . .
O86 Bi1 C77 93.1(12) . .
O75 Bi1 C78 107.2(12) . 1_554
O73 Bi1 C78 66.4(12) 5_556 1_554
O72 Bi1 C78 30.6(11) 1_554 1_554
O74 Bi1 C78 112.8(12) 5_556 1_554
OW1 Bi1 C78 82.0(13) . 1_554
O71 Bi1 C78 24.3(10) 1_554 1_554
O76 Bi1 C78 157.0(12) . 1_554
O86 Bi1 C78 133.8(11) . 1_554
C77 Bi1 C78 132.5(14) . 1_554
O75 Bi1 C79 95.3(12) . 5_556
O73 Bi1 C79 29.7(10) 5_556 5_556
O72 Bi1 C79 89.7(12) 1_554 5_556
O74 Bi1 C79 24.3(10) 5_556 5_556
OW1 Bi1 C79 170.7(14) . 5_556
O71 Bi1 C79 97.4(11) 1_554 5_556
O76 Bi1 C79 98.9(11) . 5_556
O86 Bi1 C79 71.6(11) . 5_556
C77 Bi1 C79 96.0(13) . 5_556
C78 Bi1 C79 93.3(13) 1_554 5_556
O82 Bi2 O85 80.3(10) 1_556 .
O82 Bi2 O01 72.3(11) 1_556 .
O85 Bi2 O01 100.3(11) . .
O82 Bi2 O02 111.6(11) 1_556 .
O85 Bi2 O02 75.7(11) . .
O01 Bi2 O02 51.4(10) . .
O82 Bi2 OW2 77.3(12) 1_556 .
O85 Bi2 OW2 84.1(11) . .
O01 Bi2 OW2 148.0(12) . .
O02 Bi2 OW2 155.8(12) . .
O82 Bi2 O86 131.2(10) 1_556 .
O85 Bi2 O86 52.9(10) . .
O01 Bi2 O86 123.6(10) . .
O02 Bi2 O86 72.9(10) . .
OW2 Bi2 O86 84.4(11) . .
O82 Bi2 O81 52.3(10) 1_556 1_556
O85 Bi2 O81 132.3(10) . 1_556
O01 Bi2 O81 72.0(10) . 1_556
O02 Bi2 O81 121.9(10) . 1_556
OW2 Bi2 O81 81.6(11) . 1_556
O86 Bi2 O81 164.1(10) . 1_556
O82 Bi2 O45 124.4(9) 1_556 .
O85 Bi2 O45 147.4(10) . .
O01 Bi2 O45 72.2(10) . .
O02 Bi2 O45 75.1(10) . .
OW2 Bi2 O45 119.5(10) . .
O86 Bi2 O45 104.0(9) . .
O81 Bi2 O45 76.7(9) 1_556 .
O82 Bi2 C87 28.5(11) 1_556 1_556
O85 Bi2 C87 108.7(12) . 1_556
O01 Bi2 C87 66.9(12) . 1_556
O02 Bi2 C87 117.3(12) . 1_556
OW2 Bi2 C87 81.5(12) . 1_556
O86 Bi2 C87 158.1(11) . 1_556
O81 Bi2 C87 24.2(10) 1_556 1_556
O45 Bi2 C87 97.6(11) . 1_556
O82 Bi2 C07 94.2(12) 1_556 .
O85 Bi2 C07 87.7(13) . .
O01 Bi2 C07 27.7(11) . .
O02 Bi2 C07 23.7(11) . .
OW2 Bi2 C07 169.1(13) . .
O86 Bi2 C07 96.4(12) . .
O81 Bi2 C07 98.7(12) 1_556 .
O45 Bi2 C07 70.9(12) . .
C87 Bi2 C07 94.3(13) 1_556 .
O82 Bi2 C88 106.9(12) 1_556 .
O85 Bi2 C88 27.5(12) . .
O01 Bi2 C88 114.5(12) . .
O02 Bi2 C88 72.3(12) . .
OW2 Bi2 C88 83.7(12) . .
O86 Bi2 C88 25.4(11) . .
O81 Bi2 C88 156.8(11) 1_556 .
O45 Bi2 C88 126.3(11) . .
C87 Bi2 C88 135.2(13) 1_556 .
C07 Bi2 C88 92.4(13) . .
O46 Bi3 O43 75.2(11) . 1_556
O46 Bi3 OW3 78.9(13) . .
O43 Bi3 OW3 75.5(13) 1_556 .
O46 Bi3 O84 74.5(10) . 6_556
O43 Bi3 O84 112.8(12) 1_556 6_556
OW3 Bi3 O84 148.5(11) . 6_556
O46 Bi3 O83 97.7(11) . 6_556
O43 Bi3 O83 74.1(12) 1_556 6_556
OW3 Bi3 O83 149.2(11) . 6_556
O84 Bi3 O83 52.9(9) 6_556 6_556
O46 Bi3 O44 130.2(10) . 1_556
O43 Bi3 O44 55.3(10) 1_556 1_556
OW3 Bi3 O44 83.3(11) . 1_556
O84 Bi3 O44 127.1(10) 6_556 1_556
O83 Bi3 O44 75.7(10) 6_556 1_556
O46 Bi3 O45 53.7(10) . .
O43 Bi3 O45 126.0(10) 1_556 .
OW3 Bi3 O45 78.3(11) . .
O84 Bi3 O45 72.5(10) 6_556 .
O83 Bi3 O45 124.4(10) 6_556 .
O44 Bi3 O45 159.8(11) 1_556 .
O46 Bi3 O71 153.1(10) . .
O43 Bi3 O71 120.2(10) 1_556 .
OW3 Bi3 O71 124.7(12) . .
O84 Bi3 O71 79.0(10) 6_556 .
O83 Bi3 O71 69.0(10) 6_556 .
O44 Bi3 O71 70.9(9) 1_556 .
O45 Bi3 O71 113.6(9) . .
O46 Bi3 C48 102.3(12) . 1_556
O43 Bi3 C48 27.1(11) 1_556 1_556
OW3 Bi3 C48 82.1(14) . 1_556
O84 Bi3 C48 119.6(12) 6_556 1_556
O83 Bi3 C48 68.6(12) 6_556 1_556
O44 Bi3 C48 28.8(10) 1_556 1_556
O45 Bi3 C48 151.5(12) . 1_556
O71 Bi3 C48 94.6(11) . 1_556
O46 Bi3 C89 90.1(13) . 6_556
O43 Bi3 C89 97.9(14) 1_556 6_556
OW3 Bi3 C89 168.2(14) . 6_556
O84 Bi3 C89 26.1(11) 6_556 6_556
O83 Bi3 C89 27.8(10) 6_556 6_556
O44 Bi3 C89 101.0(12) 1_556 6_556
O45 Bi3 C89 98.7(12) . 6_556
O71 Bi3 C89 67.0(12) . 6_556
C48 Bi3 C89 96.4(14) 1_556 6_556
O46 Bi3 C49 26.5(11) . .
O43 Bi3 C49 100.8(12) 1_556 .
OW3 Bi3 C49 78.3(14) . .
O84 Bi3 C49 70.3(12) 6_556 .
O83 Bi3 C49 111.9(12) 6_556 .
O44 Bi3 C49 153.1(12) 1_556 .
O45 Bi3 C49 27.2(10) . .
O71 Bi3 C49 136.0(12) . .
C48 Bi3 C49 127.8(14) 1_556 .
C89 Bi3 C49 93.8(14) 6_556 .
O16 Bi4 O13 79.0(12) . 1_554
O16 Bi4 O25 96.4(13) . 4_666
O13 Bi4 O25 72.8(11) 1_554 4_666
O16 Bi4 OW4 79.2(14) . .
O13 Bi4 OW4 78.6(12) 1_554 .
O25 Bi4 OW4 151.3(12) 4_666 .
O16 Bi4 O26 74.6(12) . 4_666
O13 Bi4 O26 114.2(11) 1_554 4_666
O25 Bi4 O26 52.4(10) 4_666 4_666
OW4 Bi4 O26 147.4(11) . 4_666
O16 Bi4 O14 133.0(12) . 1_554
O13 Bi4 O14 54.7(12) 1_554 1_554
O25 Bi4 O14 78.9(11) 4_666 1_554
OW4 Bi4 O14 83.6(12) . 1_554
O26 Bi4 O14 128.6(11) 4_666 1_554
O16 Bi4 O15 54.6(11) . .
O13 Bi4 O15 131.2(11) 1_554 .
O25 Bi4 O15 121.7(10) 4_666 .
OW4 Bi4 O15 78.8(11) . .
O26 Bi4 O15 70.4(10) 4_666 .
O14 Bi4 O15 158.9(11) 1_554 .
O16 Bi4 O62 147.8(12) . .
O13 Bi4 O62 119.8(11) 1_554 .
O25 Bi4 O62 68.4(11) 4_666 .
OW4 Bi4 O62 127.7(13) . .
O26 Bi4 O62 73.8(10) 4_666 .
O14 Bi4 O62 73.7(10) 1_554 .
O15 Bi4 O62 108.3(10) . .
O16 Bi4 C19 27.5(12) . .
O13 Bi4 C19 105.8(13) 1_554 .
O25 Bi4 C19 110.1(13) 4_666 .
OW4 Bi4 C19 78.7(13) . .
O26 Bi4 C19 69.1(12) 4_666 .
O14 Bi4 C19 156.3(13) 1_554 .
O15 Bi4 C19 27.1(11) . .
O62 Bi4 C19 129.8(12) . .
O16 Bi4 C18 106.2(13) . 1_554
O13 Bi4 C18 27.4(11) 1_554 1_554
O25 Bi4 C18 72.3(12) 4_666 1_554
OW4 Bi4 C18 81.7(13) . 1_554
O26 Bi4 C18 123.9(12) 4_666 1_554
O14 Bi4 C18 27.5(11) 1_554 1_554
O15 Bi4 C18 154.9(12) . 1_554
O62 Bi4 C18 96.1(11) . 1_554
C19 Bi4 C18 132.5(14) . 1_554
O16 Bi4 C29 85.2(14) . 4_666
O13 Bi4 C29 91.2(13) 1_554 4_666
O25 Bi4 C29 23.9(10) 4_666 4_666
OW4 Bi4 C29 162.7(14) . 4_666
O26 Bi4 C29 28.5(11) 4_666 4_666
O14 Bi4 C29 102.0(12) 1_554 4_666
O15 Bi4 C29 98.2(12) . 4_666
O62 Bi4 C29 69.6(12) . 4_666
C19 Bi4 C29 90.8(14) . 4_666
C18 Bi4 C29 95.7(13) 1_554 4_666
O53 Bi5 O56 79.6(10) 1_554 .
O53 Bi5 O42 74.0(11) 1_554 .
O56 Bi5 O42 90.4(11) . .
O53 Bi5 O55 130.3(10) 1_554 .
O56 Bi5 O55 53.1(10) . .
O42 Bi5 O55 115.6(10) . .
O53 Bi5 OW5 76.3(11) 1_554 .
O56 Bi5 OW5 82.2(12) . .
O42 Bi5 OW5 150.2(11) . .
O55 Bi5 OW5 82.5(11) . .
O53 Bi5 O41 118.1(10) 1_554 .
O56 Bi5 O41 71.3(11) . .
O42 Bi5 O41 53.5(9) . .
O55 Bi5 O41 64.4(10) . .
OW5 Bi5 O41 145.7(11) . .
O53 Bi5 O15 119.4(10) 1_554 .
O56 Bi5 O15 150.4(10) . .
O42 Bi5 O15 75.2(10) . .
O55 Bi5 O15 109.9(10) . .
OW5 Bi5 O15 122.7(10) . .
O41 Bi5 O15 79.4(10) . .
O53 Bi5 O54 53.2(9) 1_554 1_554
O56 Bi5 O54 132.8(10) . 1_554
O42 Bi5 O54 75.7(9) . 1_554
O55 Bi5 O54 168.4(10) . 1_554
OW5 Bi5 O54 88.4(10) . 1_554
O41 Bi5 O54 125.6(10) . 1_554
O15 Bi5 O54 69.2(9) . 1_554
O53 Bi5 C58 27.8(10) 1_554 1_554
O56 Bi5 C58 107.4(12) . 1_554
O42 Bi5 C58 74.3(11) . 1_554
O55 Bi5 C58 155.9(11) . 1_554
OW5 Bi5 C58 80.5(12) . 1_554
O41 Bi5 C58 127.5(11) . 1_554
O15 Bi5 C58 93.6(11) . 1_554
O54 Bi5 C58 25.5(10) 1_554 1_554
O53 Bi5 C47 95.9(13) 1_554 .
O56 Bi5 C47 80.1(13) . .
O42 Bi5 C47 26.2(11) . .
O55 Bi5 C47 90.5(12) . .
OW5 Bi5 C47 161.7(13) . .
O41 Bi5 C47 27.2(11) . .
O15 Bi5 C47 75.6(12) . .
O54 Bi5 C47 100.3(12) 1_554 .
C58 Bi5 C47 100.4(13) 1_554 .
O53 Bi5 C59 105.1(12) 1_554 .
O56 Bi5 C59 26.8(11) . .
O42 Bi5 C59 105.1(11) . .
O55 Bi5 C59 26.4(10) . .
OW5 Bi5 C59 80.6(12) . .
O41 Bi5 C59 65.9(11) . .
O15 Bi5 C59 132.9(11) . .
O54 Bi5 C59 157.8(11) 1_554 .
C58 Bi5 C59 132.5(12) 1_554 .
C47 Bi5 C59 85.7(13) . .
O61 Bi6 O64 79.0(11) 1_556 .
O61 Bi6 O31 100.9(11) 1_556 6_556
O64 Bi6 O31 73.6(12) . 6_556
O61 Bi6 OW6 82.0(12) 1_556 .
O64 Bi6 OW6 78.7(12) . .
O31 Bi6 OW6 151.0(11) 6_556 .
O61 Bi6 O32 73.0(11) 1_556 6_556
O64 Bi6 O32 112.2(12) . 6_556
O31 Bi6 O32 54.0(10) 6_556 6_556
OW6 Bi6 O32 149.6(11) . 6_556
O61 Bi6 O62 54.2(11) 1_556 1_556
O64 Bi6 O62 131.4(11) . 1_556
O31 Bi6 O62 123.2(11) 6_556 1_556
OW6 Bi6 O62 82.1(11) . 1_556
O32 Bi6 O62 69.4(11) 6_556 1_556
O61 Bi6 O63 133.5(11) 1_556 .
O64 Bi6 O63 55.2(11) . .
O31 Bi6 O63 75.7(10) 6_556 .
OW6 Bi6 O63 81.5(11) . .
O32 Bi6 O63 128.4(10) 6_556 .
O62 Bi6 O63 160.2(10) 1_556 .
O61 Bi6 C37 87.8(12) 1_556 6_556
O64 Bi6 C37 95.8(13) . 6_556
O31 Bi6 C37 28.6(11) 6_556 6_556
OW6 Bi6 C37 169.2(13) . 6_556
O32 Bi6 C37 25.6(10) 6_556 6_556
O62 Bi6 C37 95.0(12) 1_556 6_556
O63 Bi6 C37 103.1(12) . 6_556
O61 Bi6 C67 27.4(12) 1_556 1_556
O64 Bi6 C67 106.1(13) . 1_556
O31 Bi6 C67 112.3(12) 6_556 1_556
OW6 Bi6 C67 83.5(13) . 1_556
O32 Bi6 C67 66.3(12) 6_556 1_556
O62 Bi6 C67 27.1(12) 1_556 1_556
O63 Bi6 C67 158.1(12) . 1_556
C37 Bi6 C67 89.1(13) 6_556 1_556
O61 Bi6 C68 108.1(13) 1_556 .
O64 Bi6 C68 29.2(13) . .
O31 Bi6 C68 70.6(12) 6_556 .
OW6 Bi6 C68 81.0(12) . .
O32 Bi6 C68 122.8(12) 6_556 .
O62 Bi6 C68 157.2(12) 1_556 .
O63 Bi6 C68 26.2(11) . .
C37 Bi6 C68 98.8(13) 6_556 .
C67 Bi6 C68 134.8(14) 1_556 .
O33 Bi7 O36 80.1(11) 1_556 .
O33 Bi7 O65 100.6(12) 1_556 4_666
O36 Bi7 O65 77.2(12) . 4_666
O33 Bi7 O66 75.5(12) 1_556 4_666
O36 Bi7 O66 113.7(12) . 4_666
O65 Bi7 O66 49.5(11) 4_666 4_666
O33 Bi7 O34 51.9(12) 1_556 1_556
O36 Bi7 O34 129.0(11) . 1_556
O65 Bi7 O34 122.9(12) 4_666 1_556
O66 Bi7 O34 73.9(12) 4_666 1_556
O33 Bi7 OW7 77.9(12) 1_556 .
O36 Bi7 OW7 75.1(12) . .
O65 Bi7 OW7 152.0(10) 4_666 .
O66 Bi7 OW7 149.8(11) 4_666 .
O34 Bi7 OW7 78.6(12) 1_556 .
O33 Bi7 O35 133.8(11) 1_556 .
O36 Bi7 O35 53.8(11) . .
O65 Bi7 O35 74.8(11) 4_666 .
O66 Bi7 O35 123.0(12) 4_666 .
O34 Bi7 O35 162.0(12) 1_556 .
OW7 Bi7 O35 86.1(11) . .
O33 Bi7 C39 23.2(12) 1_556 1_556
O36 Bi7 C39 102.2(13) . 1_556
O65 Bi7 C39 112.4(12) 4_666 1_556
O66 Bi7 C39 72.8(13) 4_666 1_556
O34 Bi7 C39 28.7(12) 1_556 1_556
OW7 Bi7 C39 77.1(13) . 1_556
O35 Bi7 C39 154.1(13) . 1_556
O33 Bi7 C69 92.3(13) 1_556 4_666
O36 Bi7 C69 100.2(13) . 4_666
O65 Bi7 C69 26.4(10) 4_666 4_666
O66 Bi7 C69 24.4(10) 4_666 4_666
O34 Bi7 C69 98.1(13) 1_556 4_666
OW7 Bi7 C69 169.7(11) . 4_666
O35 Bi7 C69 98.6(12) . 4_666
C39 Bi7 C69 95.2(14) 1_556 4_666
O33 Bi7 C38 106.6(13) 1_556 .
O36 Bi7 C38 26.5(13) . .
O65 Bi7 C38 74.2(12) 4_666 .
O66 Bi7 C38 122.0(13) 4_666 .
O34 Bi7 C38 152.1(13) 1_556 .
OW7 Bi7 C38 79.4(13) . .
O35 Bi7 C38 27.3(12) . .
C39 Bi7 C38 128.1(14) 1_556 .
C69 Bi7 C38 100.6(14) 4_666 .
O22 Bi8 O21 52.1(11) . .
O22 Bi8 O24 131.4(11) . 1_554
O21 Bi8 O24 80.2(11) . 1_554
O22 Bi8 O11 108.3(12) . .
O21 Bi8 O11 89.4(12) . .
O24 Bi8 O11 76.5(12) 1_554 .
O22 Bi8 O23 170.4(11) . 1_554
O21 Bi8 O23 132.9(10) . 1_554
O24 Bi8 O23 52.7(9) 1_554 1_554
O11 Bi8 O23 80.8(11) . 1_554
O22 Bi8 OW8 87.4(12) . .
O21 Bi8 OW8 80.1(12) . .
O24 Bi8 OW8 73.8(13) 1_554 .
O11 Bi8 OW8 149.7(13) . .
O23 Bi8 OW8 85.8(11) 1_554 .
O22 Bi8 O12 57.1(11) . .
O21 Bi8 O12 73.2(11) . .
O24 Bi8 O12 123.3(10) 1_554 .
O11 Bi8 O12 54.5(11) . .
O23 Bi8 O12 130.2(10) 1_554 .
OW8 Bi8 O12 144.0(11) . .
O22 Bi8 O04 110.8(10) . .
O21 Bi8 O04 152.2(11) . .
O24 Bi8 O04 116.9(11) 1_554 .
O11 Bi8 O04 75.0(10) . .
O23 Bi8 O04 68.0(9) 1_554 .
OW8 Bi8 O04 124.3(12) . .
O12 Bi8 O04 79.0(10) . .
O22 Bi8 C27 23.8(11) . .
O21 Bi8 C27 28.6(12) . .
O24 Bi8 C27 107.7(13) 1_554 .
O11 Bi8 C27 103.1(12) . .
O23 Bi8 C27 159.0(12) 1_554 .
OW8 Bi8 C27 80.8(12) . .
O12 Bi8 C27 64.2(12) . .
O04 Bi8 C27 133.0(12) . .
O22 Bi8 C28 155.4(12) . 1_554
O21 Bi8 C28 103.9(12) . 1_554
O24 Bi8 C28 24.0(11) 1_554 1_554
O11 Bi8 C28 72.9(12) . 1_554
O23 Bi8 C28 29.2(11) 1_554 1_554
OW8 Bi8 C28 82.2(13) . 1_554
O12 Bi8 C28 127.2(12) . 1_554
O04 Bi8 C28 93.4(12) . 1_554
C27 Bi8 C28 131.7(14) . 1_554
O22 Bi8 C17 83.7(13) . .
O21 Bi8 C17 82.7(13) . .
O24 Bi8 C17 101.1(12) 1_554 .
O11 Bi8 C17 27.1(11) . .
O23 Bi8 C17 104.6(12) 1_554 .
OW8 Bi8 C17 162.6(14) . .
O12 Bi8 C17 27.6(11) . .
O04 Bi8 C17 73.0(12) . .
C27 Bi8 C17 85.1(13) . .
C28 Bi8 C17 100.0(12) 1_554 .
O06 Bi9 O03 78.7(11) 1_554 .
O06 Bi9 OW9 76.1(14) 1_554 .
O03 Bi9 OW9 79.6(13) . .
O06 Bi9 O52 73.7(12) 1_554 5_556
O03 Bi9 O52 94.2(11) . 5_556
OW9 Bi9 O52 149.9(12) . 5_556
O06 Bi9 O04 127.7(11) 1_554 .
O03 Bi9 O04 52.6(10) . .
OW9 Bi9 O04 77.4(12) . .
O52 Bi9 O04 122.0(10) 5_556 .
O06 Bi9 O51 112.9(11) 1_554 5_556
O03 Bi9 O51 72.5(11) . 5_556
OW9 Bi9 O51 147.7(12) . 5_556
O52 Bi9 O51 50.5(9) 5_556 5_556
O04 Bi9 O51 72.9(9) . 5_556
O06 Bi9 O05 53.5(11) 1_554 1_554
O03 Bi9 O05 132.0(10) . 1_554
OW9 Bi9 O05 84.6(12) . 1_554
O52 Bi9 O05 77.8(10) 5_556 1_554
O04 Bi9 O05 160.2(10) . 1_554
O51 Bi9 O05 126.4(9) 5_556 1_554
O06 Bi9 C08 105.3(14) 1_554 .
O03 Bi9 C08 27.5(12) . .
OW9 Bi9 C08 79.6(14) . .
O52 Bi9 C08 108.1(12) 5_556 .
O04 Bi9 C08 25.3(11) . .
O51 Bi9 C08 68.2(12) 5_556 .
O05 Bi9 C08 156.5(12) 1_554 .
O06 Bi9 O34 117.8(11) 1_554 .
O03 Bi9 O34 147.8(10) . .
OW9 Bi9 O34 129.4(12) . .
O52 Bi9 O34 67.5(11) 5_556 .
O04 Bi9 O34 113.9(9) . .
O51 Bi9 O34 75.5(10) 5_556 .
O05 Bi9 O34 71.8(9) 1_554 .
C08 Bi9 O34 131.7(12) . .
O06 Bi9 C09 26.6(13) 1_554 1_554
O03 Bi9 C09 105.3(14) . 1_554
OW9 Bi9 C09 80.9(14) . 1_554
O52 Bi9 C09 72.3(12) 5_556 1_554
O04 Bi9 C09 151.4(13) . 1_554
O51 Bi9 C09 121.7(12) 5_556 1_554
O05 Bi9 C09 27.0(12) 1_554 1_554
C08 Bi9 C09 131.6(15) . 1_554
O34 Bi9 C09 94.3(13) . 1_554
O06 Bi9 C57 94.2(13) 1_554 5_556
O03 Bi9 C57 84.6(11) . 5_556
OW9 Bi9 C57 162.8(12) . 5_556
O52 Bi9 C57 24.8(10) 5_556 5_556
O04 Bi9 C57 98.4(11) . 5_556
O51 Bi9 C57 25.8(10) 5_556 5_556
O05 Bi9 C57 101.2(11) 1_554 5_556
C08 Bi9 C57 89.6(13) . 5_556
O34 Bi9 C57 67.6(11) . 5_556
C09 Bi9 C57 96.9(13) 1_554 5_556
C07 O01 Bi2 95.2(19) . .
C07 O02 Bi2 98(3) . .
C08 O03 Bi9 96(2) . .
C08 O04 Bi9 88(2) . .
C08 O04 Bi8 156(3) . .
Bi9 O04 Bi8 115.5(11) . .
C09 O05 Bi9 84(3) . 1_556
C09 O06 Bi9 102(3) . 1_556
C17 O11 Bi8 99(2) . .
C17 O12 Bi8 88(2) . .
C18 O13 Bi4 95(3) . 1_556
C18 O14 Bi4 87(3) . 1_556
C19 O15 Bi4 82(2) . .
C19 O15 Bi5 155(3) . .
Bi4 O15 Bi5 116.3(12) . .
C19 O16 Bi4 100(2) . .
C27 O21 Bi8 98(3) . .
C27 O22 Bi8 107(3) . .
C28 O23 Bi8 86(2) . 1_556
C28 O24 Bi8 104(3) . 1_556
C29 O25 Bi4 100(2) . 4_666
C29 O26 Bi4 92(2) . 4_666
C37 O31 Bi6 91(2) . 5_556
C37 O32 Bi6 87(3) . 5_556
C39 O33 Bi7 103(3) . 1_554
C39 O34 Bi7 83(2) . 1_554
C39 O34 Bi9 149(3) . .
Bi7 O34 Bi9 115.3(13) 1_554 .
C38 O35 Bi7 82(2) . .
C38 O36 Bi7 101(3) . .
C47 O41 Bi5 84(2) . .
C47 O42 Bi5 94(3) . .
C48 O43 Bi3 99(3) . 1_554
C48 O44 Bi3 88(2) . 1_554
C49 O45 Bi3 90(2) . .
C49 O45 Bi2 155(3) . .
Bi3 O45 Bi2 109.0(10) . .
C49 O46 Bi3 102(2) . .
C57 O51 Bi9 90(2) . 6_556
C57 O52 Bi9 93(2) . 6_556
C58 O53 Bi5 95(3) . 1_556
C58 O54 Bi5 78(3) . 1_556
C59 O55 Bi5 95(3) . .
C59 O56 Bi5 100(3) . .
C67 O61 Bi6 97(3) . 1_554
C67 O62 Bi6 84(2) . 1_554
C67 O62 Bi4 150(3) . .
Bi6 O62 Bi4 115.8(13) 1_554 .
C68 O63 Bi6 86(2) . .
C68 O64 Bi6 97(3) . .
C69 O65 Bi7 93(3) . 4_666
C69 O66 Bi7 92(3) . 4_666
C78 O71 Bi1 88(2) . 1_556
C78 O71 Bi3 145(3) . .
Bi1 O71 Bi3 114.7(11) 1_556 .
C78 O72 Bi1 91(2) . 1_556
C79 O73 Bi1 93(2) . 6_556
C79 O74 Bi1 98(3) . 6_556
C77 O75 Bi1 102(3) . .
C77 O76 Bi1 81(3) . .
C87 O81 Bi2 89(2) . 1_554
C87 O82 Bi2 98(2) . 1_554
C89 O83 Bi3 90(2) . 5_556
C89 O84 Bi3 92(3) . 5_556
C88 O85 Bi2 99(3) . .
C88 O86 Bi2 93(3) . .
C88 O86 Bi1 133(3) . .
Bi2 O86 Bi1 118.4(11) . .
C02 C01 C06 120.0 . .
C02 C01 C07 115(3) . .
C06 C01 C07 125(3) . .
C03 C02 C01 120.0 . .
C02 C03 C04 120.0 . .
C02 C03 C08 118(3) . .
C04 C03 C08 122(3) . .
C05 C04 C03 120.0 . .
C06 C05 C04 120.0 . .
C06 C05 C09 124(3) . .
C04 C05 C09 116(3) . .
C05 C06 C01 120.0 . .
O02 C07 O01 115(3) . .
O02 C07 C01 130(4) . .
O01 C07 C01 114(3) . .
O02 C07 Bi2 58(2) . .
O01 C07 Bi2 57.1(15) . .
C01 C07 Bi2 171(3) . .
O04 C08 O03 123(3) . .
O04 C08 C03 120(4) . .
O03 C08 C03 117(4) . .
O04 C08 Bi9 67(2) . .
O03 C08 Bi9 56.8(17) . .
C03 C08 Bi9 166(3) . .
O05 C09 O06 120(4) . .
O05 C09 C05 119(4) . .
O06 C09 C05 119(4) . .
O05 C09 Bi9 69(3) . 1_556
O06 C09 Bi9 52(2) . 1_556
C05 C09 Bi9 164(3) . 1_556
C12 C11 C16 120.0 . .
C12 C11 C17 123(2) . .
C16 C11 C17 117(2) . .
C11 C12 C13 120.0 . .
C14 C13 C12 120.0 . .
C14 C13 C18 119(2) . .
C12 C13 C18 121(2) . .
C13 C14 C15 120.0 . .
C16 C15 C14 120.0 . .
C16 C15 C19 120(2) . .
C14 C15 C19 120(2) . .
C15 C16 C11 120.0 . .
O11 C17 O12 118(3) . .
O11 C17 C11 117(3) . .
O12 C17 C11 124(3) . .
O11 C17 Bi8 54.0(17) . .
O12 C17 Bi8 64.5(18) . .
C11 C17 Bi8 171(3) . .
O13 C18 O14 122(5) . .
O13 C18 C13 115(4) . .
O14 C18 C13 123(4) . .
O13 C18 Bi4 57(2) . 1_556
O14 C18 Bi4 66(3) . 1_556
C13 C18 Bi4 167(3) . 1_556
O15 C19 O16 124(3) . .
O15 C19 C15 117(4) . .
O16 C19 C15 119(3) . .
O15 C19 Bi4 71.1(18) . .
O16 C19 Bi4 52.9(18) . .
C15 C19 Bi4 164(3) . .
C22 C21 C26 120.0 . .
C22 C21 C27 118(2) . .
C26 C21 C27 122(2) . .
C21 C22 C23 120.0 . .
C24 C23 C22 120.0 . .
C24 C23 C28 121(3) . .
C22 C23 C28 119(3) . .
C23 C24 C25 120.0 . .
C24 C25 C26 120.0 . .
C24 C25 C29 116(2) . .
C26 C25 C29 124(2) . .
C25 C26 C21 120.0 . .
O22 C27 O21 102(4) . .
O22 C27 C21 140(4) . .
O21 C27 C21 116(4) . .
O22 C27 Bi8 49(2) . .
O21 C27 Bi8 54(2) . .
C21 C27 Bi8 168(3) . .
O24 C28 O23 115(4) . .
O24 C28 C23 122(4) . .
O23 C28 C23 121(4) . .
O24 C28 Bi8 52(2) . 1_556
O23 C28 Bi8 64(2) . 1_556
C23 C28 Bi8 173(3) . 1_556
O25 C29 O26 115(3) . .
O25 C29 C25 128(4) . .
O26 C29 C25 113(3) . .
O25 C29 Bi4 56(2) . 4_666
O26 C29 Bi4 59.7(16) . 4_666
C25 C29 Bi4 163(3) . 4_666
C32 C31 C36 120.0 . .
C32 C31 C37 122(2) . .
C36 C31 C37 117(2) . .
C33 C32 C31 120.0 . .
C32 C33 C34 120.0 . .
C32 C33 C38 120(3) . .
C34 C33 C38 120(3) . .
C35 C34 C33 120.0 . .
C34 C35 C36 120.0 . .
C34 C35 C39 124(2) . .
C36 C35 C39 116(2) . .
C35 C36 C31 120.0 . .
O32 C37 O31 127(4) . .
O32 C37 C31 117(4) . .
O31 C37 C31 115(3) . .
O32 C37 Bi6 68(2) . 5_556
O31 C37 Bi6 60(2) . 5_556
C31 C37 Bi6 163(3) . 5_556
O36 C38 O35 124(4) . .
O36 C38 C33 117(4) . .
O35 C38 C33 118(4) . .
O36 C38 Bi7 53(2) . .
O35 C38 Bi7 71(2) . .
C33 C38 Bi7 168(3) . .
O33 C39 O34 122(5) . .
O33 C39 C35 127(4) . .
O34 C39 C35 111(3) . .
O33 C39 Bi7 54(3) . 1_554
O34 C39 Bi7 68(2) . 1_554
C35 C39 Bi7 169(3) . 1_554
C42 C41 C46 120.0 . .
C42 C41 C47 115(2) . .
C46 C41 C47 125(2) . .
C43 C42 C41 120.0 . .
C42 C43 C44 120.0 . .
C42 C43 C48 116(2) . .
C44 C43 C48 123(2) . .
C45 C44 C43 120.0 . .
C46 C45 C44 120.0 . .
C46 C45 C49 120(2) . .
C44 C45 C49 120(2) . .
C45 C46 C41 120.0 . .
O42 C47 O41 129(4) . .
O42 C47 C41 118(4) . .
O41 C47 C41 113(4) . .
O42 C47 Bi5 60(2) . .
O41 C47 Bi5 69(2) . .
C41 C47 Bi5 178(3) . .
O43 C48 O44 115(4) . .
O43 C48 C43 120(4) . .
O44 C48 C43 123(3) . .
O43 C48 Bi3 54(2) . 1_554
O44 C48 Bi3 63(2) . 1_554
C43 C48 Bi3 173(3) . 1_554
O46 C49 O45 115(3) . .
O46 C49 C45 125(4) . .
O45 C49 C45 118(4) . .
O46 C49 Bi3 51.7(19) . .
O45 C49 Bi3 63(2) . .
C45 C49 Bi3 162(3) . .
C52 C51 C56 120.0 . .
C52 C51 C57 123(2) . .
C56 C51 C57 117(2) . .
C53 C52 C51 120.0 . .
C54 C53 C52 120.0 . .
C54 C53 C58 121(2) . .
C52 C53 C58 119(2) . .
C53 C54 C55 120.0 . .
C54 C55 C56 120.0 . .
C54 C55 C59 115(2) . .
C56 C55 C59 125(2) . .
C55 C56 C51 120.0 . .
O52 C57 O51 126(3) . .
O52 C57 C51 116(3) . .
O51 C57 C51 117(3) . .
O52 C57 Bi9 62.4(18) . 6_556
O51 C57 Bi9 64.6(17) . 6_556
C51 C57 Bi9 161(2) . 6_556
O54 C58 O53 134(4) . .
O54 C58 C53 113(3) . .
O53 C58 C53 113(3) . .
O54 C58 Bi5 76(3) . 1_556
O53 C58 Bi5 58(2) . 1_556
C53 C58 Bi5 170(2) . 1_556
O55 C59 O56 111(4) . .
O55 C59 C55 128(4) . .
O56 C59 C55 120(3) . .
O55 C59 Bi5 59(2) . .
O56 C59 Bi5 53(2) . .
C55 C59 Bi5 172(3) . .
C62 C61 C66 120.0 . .
C62 C61 C67 120(2) . .
C66 C61 C67 120(2) . .
C63 C62 C61 120.0 . .
C68 C63 C62 115(3) . .
C68 C63 C64 124(3) . .
C62 C63 C64 120.0 . .
C65 C64 C63 120.0 . .
C66 C65 C64 120.0 . .
C66 C65 C69 118(2) . .
C64 C65 C69 122(2) . .
C65 C66 C61 120.0 . .
O62 C67 O61 123(4) . .
O62 C67 C61 117(3) . .
O61 C67 C61 119(4) . .
O62 C67 Bi6 69(2) . 1_554
O61 C67 Bi6 55(2) . 1_554
C61 C67 Bi6 174(3) . 1_554
O63 C68 C63 126(4) . .
O63 C68 O64 121(4) . .
C63 C68 O64 112(4) . .
O63 C68 Bi6 68(2) . .
C63 C68 Bi6 166(3) . .
O64 C68 Bi6 54(2) . .
O66 C69 O65 120(4) . .
O66 C69 C65 121(4) . .
O65 C69 C65 118(4) . .
O66 C69 Bi7 63(3) . 4_666
O65 C69 Bi7 61(2) . 4_666
C65 C69 Bi7 168(3) . 4_666
C72 C71 C76 120.0 . .
C72 C71 C78 122.9(17) . .
C76 C71 C78 116.8(17) . .
C71 C72 C73 120.0 . .
C74 C73 C72 120.0 . .
C74 C73 C79 116.2(17) . .
C72 C73 C79 123.5(17) . .
C73 C74 C75 120.0 . .
C76 C75 C74 120.0 . .
C76 C75 C77 120(3) . .
C74 C75 C77 120(3) . .
C75 C76 C71 120.0 . .
O75 C77 O76 123(5) . .
O75 C77 C75 122(5) . .
O76 C77 C75 114(4) . .
O75 C77 Bi1 52(2) . .
O76 C77 Bi1 72(3) . .
C75 C77 Bi1 174(3) . .
O71 C78 O72 126(3) . .
O71 C78 C71 122(3) . .
O72 C78 C71 112(3) . .
O71 C78 Bi1 68(2) . 1_556
O72 C78 Bi1 58.2(16) . 1_556
C71 C78 Bi1 170(3) . 1_556
O74 C79 O73 114(3) . .
O74 C79 C73 127(3) . .
O73 C79 C73 118(3) . .
O74 C79 Bi1 57(2) . 6_556
O73 C79 Bi1 57.3(17) . 6_556
C73 C79 Bi1 162(3) . 6_556
C82 C81 C86 120.0 . .
C82 C81 C87 121.9(17) . .
C86 C81 C87 118.1(17) . .
C81 C82 C83 120.0 . .
C82 C83 C84 120.0 . .
C82 C83 C89 119(3) . .
C84 C83 C89 121(2) . .
C85 C84 C83 120.0 . .
C84 C85 C86 120.0 . .
C84 C85 C88 122(3) . .
C86 C85 C88 116(3) . .
C85 C86 C81 120.0 . .
O81 C87 O82 119(3) . .
O81 C87 C81 125(3) . .
O82 C87 C81 115(3) . .
O81 C87 Bi2 66(2) . 1_554
O82 C87 Bi2 53.4(17) . 1_554
C81 C87 Bi2 168(2) . 1_554
O86 C88 O85 115(4) . .
O86 C88 C85 129(4) . .
O85 C88 C85 114(4) . .
O86 C88 Bi2 62(2) . .
O85 C88 Bi2 53(2) . .
C85 C88 Bi2 164(3) . .
O84 C89 O83 120(4) . .
O84 C89 C83 120(4) . .
O83 C89 C83 118(4) . .
O84 C89 Bi3 62(2) . 5_556
O83 C89 Bi3 62(2) . 5_556
C83 C89 Bi3 172(3) . 5_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Bi1 O75 2.21(3) .
Bi1 O73 2.36(3) 5_556
Bi1 O72 2.36(3) 1_554
Bi1 O74 2.38(3) 5_556
Bi1 OW1 2.40(4) .
Bi1 O71 2.58(3) 1_554
Bi1 O76 2.63(3) .
Bi1 O86 2.73(3) .
Bi1 C77 2.74(5) .
Bi1 C78 2.77(3) 1_554
Bi1 C79 2.80(3) 5_556
Bi2 O82 2.23(3) 1_556
Bi2 O85 2.31(3) .
Bi2 O01 2.36(3) .
Bi2 O02 2.40(3) .
Bi2 OW2 2.50(4) .
Bi2 O86 2.50(3) .
Bi2 O81 2.52(3) 1_556
Bi2 O45 2.69(3) .
Bi2 C87 2.75(3) 1_556
Bi2 C07 2.80(3) .
Bi2 C88 2.84(5) .
Bi3 O46 2.29(3) .
Bi3 O43 2.29(3) 1_556
Bi3 OW3 2.30(4) .
Bi3 O84 2.46(3) 6_556
Bi3 O83 2.47(3) 6_556
Bi3 O44 2.48(3) 1_556
Bi3 O45 2.54(3) .
Bi3 O71 2.76(3) .
Bi3 C48 2.79(4) 1_556
Bi3 C89 2.79(5) 6_556
Bi3 C49 2.85(4) .
Bi4 O16 2.19(3) .
Bi4 O13 2.29(3) 1_554
Bi4 O25 2.35(3) 4_666
Bi4 OW4 2.41(4) .
Bi4 O26 2.41(3) 4_666
Bi4 O14 2.47(3) 1_554
Bi4 O15 2.59(3) .
Bi4 O62 2.66(4) .
Bi4 C19 2.71(3) .
Bi4 C18 2.71(5) 1_554
Bi4 C29 2.79(3) 4_666
Bi5 O53 2.24(3) 1_554
Bi5 O56 2.26(3) .
Bi5 O42 2.36(3) .
Bi5 O55 2.39(3) .
Bi5 OW5 2.47(3) .
Bi5 O41 2.55(3) .
Bi5 O15 2.61(3) .
Bi5 O54 2.63(3) 1_554
Bi5 C58 2.65(4) 1_554
Bi5 C47 2.72(4) .
Bi5 C59 2.79(4) .
Bi6 O61 2.29(3) 1_556
Bi6 O64 2.29(3) .
Bi6 O31 2.39(3) 6_556
Bi6 OW6 2.45(3) .
Bi6 O32 2.54(3) 6_556
Bi6 O62 2.59(3) 1_556
Bi6 O63 2.62(3) .
Bi6 C37 2.75(4) 6_556
Bi6 C67 2.76(4) 1_556
Bi6 C68 2.82(4) .
Bi7 O33 2.23(3) 1_556
Bi7 O36 2.23(3) .
Bi7 O65 2.41(3) 4_666
Bi7 O66 2.45(3) 4_666
Bi7 O34 2.52(3) 1_556
Bi7 OW7 2.54(3) .
Bi7 O35 2.64(3) .
Bi7 C39 2.70(5) 1_556
Bi7 C69 2.75(4) 4_666
Bi7 C38 2.75(4) .
Bi8 O22 2.18(3) .
Bi8 O21 2.24(3) .
Bi8 O24 2.27(3) 1_554
Bi8 O11 2.33(3) .
Bi8 O23 2.53(3) 1_554
Bi8 OW8 2.55(4) .
Bi8 O12 2.57(3) .
Bi8 O04 2.71(3) .
Bi8 C27 2.76(4) .
Bi8 C28 2.80(5) 1_554
Bi8 C17 2.84(3) .
Bi9 O06 2.21(3) 1_554
Bi9 O03 2.30(3) .
Bi9 OW9 2.44(3) .
Bi9 O52 2.48(3) 5_556
Bi9 O04 2.52(3) .
Bi9 O51 2.52(3) 5_556
Bi9 O05 2.59(3) 1_554
Bi9 C08 2.73(3) .
Bi9 O34 2.73(4) .
Bi9 C09 2.76(5) 1_554
Bi9 C57 2.79(2) 5_556
O01 C07 1.31(5) .
O02 C07 1.14(4) .
O03 C08 1.27(5) .
O04 C08 1.17(5) .
O05 C09 1.26(5) .
O05 Bi9 2.59(3) 1_556
O06 C09 1.26(6) .
O06 Bi9 2.21(3) 1_556
O11 C17 1.31(5) .
O12 C17 1.32(5) .
O13 C18 1.25(5) .
O13 Bi4 2.29(3) 1_556
O14 C18 1.25(5) .
O14 Bi4 2.47(3) 1_556
O15 C19 1.25(5) .
O16 C19 1.27(5) .
O21 C27 1.33(5) .
O22 C27 1.16(5) .
O23 C28 1.37(5) .
O23 Bi8 2.53(3) 1_556
O24 C28 1.17(5) .
O24 Bi8 2.27(3) 1_556
O25 C29 1.15(4) .
O25 Bi4 2.35(3) 4_666
O26 C29 1.33(5) .
O26 Bi4 2.41(3) 4_666
O31 C37 1.31(5) .
O31 Bi6 2.39(3) 5_556
O32 C37 1.19(5) .
O32 Bi6 2.54(3) 5_556
O33 C39 1.09(5) .
O33 Bi7 2.23(3) 1_554
O34 C39 1.31(5) .
O34 Bi7 2.52(3) 1_554
O35 C38 1.28(6) .
O36 C38 1.25(5) .
O41 C47 1.25(5) .
O42 C47 1.21(5) .
O43 C48 1.28(5) .
O43 Bi3 2.29(3) 1_554
O44 C48 1.34(5) .
O44 Bi3 2.48(3) 1_554
O45 C49 1.30(5) .
O46 C49 1.30(5) .
O51 C57 1.22(4) .
O51 Bi9 2.52(3) 6_556
O52 C57 1.17(4) .
O52 Bi9 2.48(3) 6_556
O53 C58 1.24(5) .
O53 Bi5 2.24(3) 1_556
O54 C58 1.16(4) .
O54 Bi5 2.63(3) 1_556
O55 C59 1.24(5) .
O56 C59 1.28(5) .
O61 C67 1.28(5) .
O61 Bi6 2.29(3) 1_554
O62 C67 1.26(6) .
O62 Bi6 2.59(3) 1_554
O63 C68 1.25(6) .
O64 C68 1.38(5) .
O65 C69 1.22(5) .
O65 Bi7 2.41(3) 4_666
O66 C69 1.13(5) .
O66 Bi7 2.45(3) 4_666
O71 C78 1.14(4) .
O71 Bi1 2.58(3) 1_556
O72 C78 1.41(5) .
O72 Bi1 2.36(3) 1_556
O73 C79 1.39(5) .
O73 Bi1 2.36(3) 6_556
O74 C79 1.16(4) .
O74 Bi1 2.38(3) 6_556
O75 C77 1.21(5) .
O76 C77 1.26(5) .
O81 C87 1.13(4) .
O81 Bi2 2.52(3) 1_554
O82 C87 1.32(5) .
O82 Bi2 2.23(3) 1_554
O83 C89 1.30(5) .
O83 Bi3 2.47(3) 5_556
O84 C89 1.23(5) .
O84 Bi3 2.46(3) 5_556
O85 C88 1.32(5) .
O86 C88 1.22(5) .
C01 C02 1.3900 .
C01 C06 1.3900 .
C01 C07 1.512(18) .
C02 C03 1.3900 .
C03 C04 1.3900 .
C03 C08 1.510(18) .
C04 C05 1.3900 .
C05 C06 1.3900 .
C05 C09 1.47(5) .
C09 Bi9 2.76(5) 1_556
C11 C12 1.3900 .
C11 C16 1.3900 .
C11 C17 1.513(18) .
C12 C13 1.3900 .
C13 C14 1.3900 .
C13 C18 1.49(5) .
C14 C15 1.3900 .
C15 C16 1.3900 .
C15 C19 1.518(18) .
C18 Bi4 2.71(5) 1_556
C21 C22 1.3900 .
C21 C26 1.3900 .
C21 C27 1.52(5) .
C22 C23 1.3900 .
C23 C24 1.3900 .
C23 C28 1.43(5) .
C24 C25 1.3900 .
C25 C26 1.3900 .
C25 C29 1.518(19) .
C28 Bi8 2.80(5) 1_556
C29 Bi4 2.79(3) 4_666
C31 C32 1.3900 .
C31 C36 1.3900 .
C31 C37 1.51(5) .
C32 C33 1.3900 .
C33 C34 1.3900 .
C33 C38 1.49(5) .
C34 C35 1.3900 .
C35 C36 1.3900 .
C35 C39 1.54(5) .
C37 Bi6 2.75(4) 5_556
C39 Bi7 2.70(5) 1_554
C41 C42 1.3900 .
C41 C46 1.3900 .
C41 C47 1.51(4) .
C42 C43 1.3900 .
C43 C44 1.3900 .
C43 C48 1.44(5) .
C44 C45 1.3900 .
C45 C46 1.3900 .
C45 C49 1.42(4) .
C48 Bi3 2.79(4) 1_554
C51 C52 1.3900 .
C51 C56 1.3900 .
C51 C57 1.520(18) .
C52 C53 1.3900 .
C53 C54 1.3900 .
C53 C58 1.61(5) .
C54 C55 1.3900 .
C55 C56 1.3900 .
C55 C59 1.45(4) .
C57 Bi9 2.79(2) 6_556
C58 Bi5 2.65(4) 1_556
C61 C62 1.3900 .
C61 C66 1.3900 .
C61 C67 1.52(5) .
C62 C63 1.3900 .
C63 C68 1.33(5) .
C63 C64 1.3900 .
C64 C65 1.3900 .
C65 C66 1.3900 .
C65 C69 1.55(5) .
C67 Bi6 2.76(4) 1_554
C69 Bi7 2.75(4) 4_666
C71 C72 1.3900 .
C71 C76 1.3900 .
C71 C78 1.49(3) .
C72 C73 1.3900 .
C73 C74 1.3900 .
C73 C79 1.50(3) .
C74 C75 1.3900 .
C75 C76 1.3900 .
C75 C77 1.47(5) .
C78 Bi1 2.77(3) 1_556
C79 Bi1 2.80(3) 6_556
C81 C82 1.3900 .
C81 C86 1.3900 .
C81 C87 1.48(3) .
C82 C83 1.3900 .
C83 C84 1.3900 .
C83 C89 1.51(5) .
C84 C85 1.3900 .
C85 C86 1.3900 .
C85 C88 1.39(5) .
C87 Bi2 2.75(3) 1_554
C89 Bi3 2.79(5) 5_556
